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Ground-state oxygen holes and the metal-insulator transition in the negative charge-transfer rare-earth nickelates

Bisogni, V; Catalano, S; Green, RJ; Gibert, M; Scherwitzl, R; Huang, Y; Strocov, VN; ... Schmitt, T; + view all (2016) Ground-state oxygen holes and the metal-insulator transition in the negative charge-transfer rare-earth nickelates. Nature Communications , 7 , Article 13017. 10.1038/ncomms13017. Green open access

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Abstract

The metal–insulator transition and the intriguing physical properties of rare-earth perovskite nickelates have attracted considerable attention in recent years. Nonetheless, a complete understanding of these materials remains elusive. Here we combine X-ray absorption and resonant inelastic X-ray scattering (RIXS) spectroscopies to resolve important aspects of the complex electronic structure of rare-earth nickelates, taking NdNiO3 thin film as representative example. The unusual coexistence of bound and continuum excitations observed in the RIXS spectra provides strong evidence for abundant oxygen holes in the ground state of these materials. Using cluster calculations and Anderson impurity model interpretation, we show that distinct spectral signatures arise from a Ni 3d8 configuration along with holes in the oxygen 2p valence band, confirming suggestions that these materials do not obey a conventional positive charge-transfer picture, but instead exhibit a negative charge-transfer energy in line with recent models interpreting the metal–insulator transition in terms of bond disproportionation.

Type: Article
Title: Ground-state oxygen holes and the metal-insulator transition in the negative charge-transfer rare-earth nickelates
Open access status: An open access version is available from UCL Discovery
DOI: 10.1038/ncomms13017
Publisher version: http://doi.org/10.1038/ncomms13017
Language: English
Additional information: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
Keywords: Science & Technology, Multidisciplinary Sciences, Science & Technology - Other Topics, X-RAY-SCATTERING, ELECTRONIC-STRUCTURE, ABSORPTION SPECTROSCOPY, RNIO3 PEROVSKITES, NDNIO3 FILMS, BAND-GAP, EXCITATIONS, SPIN, ND
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/1527226
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